Version2.4 2021-05-20T22:26:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@H]4CCCO4)CCC3)Br C01159604 RHF 6-31G(d) (6D,7F) c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@H]4CCCO4)CCC3)Br C01[X(C21H25Br1N3O3S1)] 156 C1 504 Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@H]2CCCO2)sc2c1CCC2 Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@H]2CCCO2)sc2c1CCC2 Brc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C[C@H]3CCCO3)sc4CCCc24)cc1 InChIKey=YOQDVKFLZDTSIS-OAHLLOKOSA-O InChI=1S/C21H24BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15,23H,1-5,10-12H2,(H,24,27)(H,25,26)/p+1/t15-/m1/s1 InChI=1/C21H24BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15,23H,1-5,10-12H2,(H,24,27)(H,25,26)/p+1/t15-/m1/s1/fC21H25BrN3O3S/h23-25H/q+1 c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@H]4CCCO4)CCC3)Br C01[X(C21H25Br1N3O3S1)] 156 C01 504 Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@H]2CCCO2)sc2c1CCC2 O=[C]([NH][C]1SC2=[C]([C]1[C]([O])N[C]1[CH][CH][C]([CH][CH]1)Br)CCC2)C[NH2]C[C@H]1CCCO1 [O][C](N[C]1[CH][CH][C](Br)[CH][CH]1)[C]2[C](NC(=O)C[NH2]C[C@H]3CCCO3)SC4=C2CCC4 InChIKey=XJKHGZVOPPPFRI-OAHLLOKOSA-N InChI=1S/C21H25BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15H,1-5,10-12,23H2,(H,24,27)(H,25,26)/t15-/m1/s1 InChI=1/C21H25BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15H,1-5,10-12,23H2,(H,24,27)(H,25,26)/t15-/m1/s1/f/h24-25H 3172.5504758333 -4164.9563636 1-A 27977.0613 123 381 504 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.11887 -92.07309 -64.53034 -58.66987 -58.66797 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1.6115 5.8608 4.5436 5.9438 4.6215 3.6600 2.2366 1.4990 4.2146 2.1412 2.3527 9.9917 2.6448 2.2908 1.3797 6.2123 15.2562 8.1721 15.3033 6.9924 3.3987 6.9417 0.9214 6.3232 0.9635 7.2632 2.7077 2.5977 1.7335 3.9592 12.6518 23.9493 2.5167 0.6117 3.8139 5.2654 4.0087 2.1850 11.2190 18.0393 1.5573 6.5865 11.2331 3.9823 6.6916 1.7638 7.9219 24.2190 11.9117 6.0484 7.8487 9.6291 17.0400 16.0843 11.4840 112.4206 11.8844 23.7184 35.5066 4.3620 16.0969 8.8089 4.7543 18.0431 7.5523 0.7709 13.5649 16.9212 33.8970 62.1376 12.0065 85.7785 72.5806 100.8141 27.4969 20.6151 7.9814 13.2649 23.8842 10.2419 9.6087 3.6863 8.3474 88.8669 103.9288 66.9477 5.0051 174.8624 6.9054 117.1835 93.4952 99.4158 142.1574 44.5719 71.5869 56.5350 42.4612 151.1004 129.7141 136.5370 4.2928 118.3946 65.8595 122.9734 126.8922 77.2280 21.2569 38.1809 62.6751 62.7907 92.0423 67.0759 48.3504 103.1831 22.0509 85.8837 0.7314 0.7496 0.7107 0.7497 0.7458 0.7455 0.5221 0.5277 0.7486 0.5951 0.6239 0.6343 0.6391 0.4772 0.5637 0.7498 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0.8570 0.8544 0.8542 0.6860 0.6909 0.8562 0.7461 0.7684 0.7762 0.7798 0.6461 0.7210 0.8570 0.5235 0.3933 0.8301 0.6637 0.6505 0.7564 0.7416 0.2729 0.4987 0.8020 0.5466 0.8563 0.8548 0.7451 0.8282 0.7396 0.6569 0.1898 0.4803 0.4428 0.8496 0.6286 0.8252 0.6953 0.8372 0.5855 0.5435 0.8307 0.5393 0.3030 0.6572 0.5932 0.4764 0.3597 0.3674 0.6413 0.8457 0.7905 0.2550 0.2847 0.2207 0.3090 0.1401 0.5082 0.3990 0.2821 0.7467 0.3393 0.7267 0.4753 0.5360 0.7635 0.6328 0.8496 0.8120 0.3802 0.6046 0.8521 0.6926 0.8532 0.6536 0.7845 0.6658 0.2135 0.8475 0.6309 0.5996 0.8053 0.2808 0.3980 0.7452 0.2717 0.2974 0.7869 0.8567 0.5131 0.8177 0.3745 0.8301 0.4530 0.8416 0.6697 0.4277 0.8162 0.8568 0.4495 0.6745 0.5090 0.6300 0.6669 0.6557 0.5680 0.8444 0.5208 0.8566 0.2988 0.2290 0.2062 0.5687 0.6072 0.8411 0.8188 0.8055 0.8571 0.6359 0.5336 0.7984 0.2937 0.7712 0.5640 0.8122 0.6694 0.7048 0.5024 0.3947 0.3322 0.3281 0.6680 0.4077 0.8035 0.5332 0.1761 0.3607 0.3773 0.5695 0.0648 0.7774 0.8119 0.4824 0.7515 0.7254 0.8548 0.5490 0.5693 0.3753 0.3431 0.1107 0.3563 0.2904 0.2779 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 6 6 6 6 6 6 7 6 8 6 6 6 16 6 7 6 8 6 7 1 1 6 6 1 6 6 6 8 6 6 6 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 78.91834 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14135.8129 39991.9800 52881.7118 0.99816 -0.06055 0.00068 0.06055 0.99816 -0.00353 -0.00046 0.00357 0.99999 1 0.00613 0.00217 0.00164 0.12767 0.04513 0.03413 15.18 25.84 27.78 38.21 43.62 63.40 79.18 95.30 105.40 127.77 152.30 165.18 189.95 197.95 209.69 225.60 243.08 272.91 294.92 324.21 359.78 361.46 399.40 409.52 466.33 510.18 516.10 551.21 569.54 612.07 635.34 658.92 663.21 698.62 761.40 809.12 826.46 831.06 863.31 902.48 932.64 944.11 976.14 997.89 1019.09 1050.55 1080.99 1136.63 1142.64 1190.38 1209.31 1252.86 1255.28 1272.48 1302.25 1317.53 1333.38 1355.42 1372.38 1381.96 1389.01 1405.40 1430.60 1432.02 1456.36 1487.88 1529.94 1549.37 1573.52 1574.88 1578.43 1590.43 1594.72 1597.71 1629.07 1636.59 1659.94 1674.90 1703.57 1705.56 1725.48 1791.27 1810.71 1825.31 1827.95 1845.39 1867.24 1883.19 1901.06 1912.63 1936.74 1938.77 1954.42 1958.24 1997.62 2023.62 2037.79 2072.78 2089.45 2096.53 2101.49 2115.82 2117.22 2122.33 2140.46 2155.97 2171.23 2204.08 2212.59 2235.76 2241.22 2271.47 2306.91 2334.21 2346.08 2349.22 2356.20 2362.57 2368.21 2377.31 2393.97 2406.46 2418.95 2467.94 2533.30 2564.91 2582.48 2596.76 2651.27 2705.71 2795.64 4583.24 4630.06 4638.90 4654.74 4659.98 4670.52 4675.91 4678.72 4698.94 4705.62 4711.74 4733.33 4743.70 4757.12 4786.77 4801.78 4803.17 4838.50 4896.81 4905.01 4954.47 5181.55 5265.59 5275.08 5635.89 0.478850 0.504858 0.505802 0.415730 -4164.477513 -4164.451506 -4164.450562 -4164.540633 3.020996D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@H]4CCCO4)CCC3)Br C01159604 RHF 6-31G(d) (6D,10F) C1 478.080000 |X|Y|Z| 142.135245 85.206173 22.701801 65.024604 26 6 7 8 16 21 3 1 1 |36.858105| |13.773272|36.858105| |7.981807|13.788264|36.858105| |6.898737|7.938554|13.778464|36.858105| |7.939497|6.857232|7.946586|13.767702|36.858105| |13.731699|7.917446|6.886556|7.947778|13.729115|36.858105| |7.932575|5.175476|4.553772|5.129012|7.741219|13.428906|53.358707| |5.266532|3.948569|3.708085|4.315321|6.229203|7.705264|19.266580|36.858105| |4.631768|3.727458|3.707086|4.530191|6.513705|6.678510|11.538402|15.663786|73.516695| |4.017431|3.145823|2.920696|3.247025|4.229577|5.043963|10.755065|12.795466|14.359078|36.858105| |3.726260|2.938732|2.664313|2.855292|3.558629|4.324020|8.647850|7.200014|9.114164|13.160809|36.858105| |2.967979|2.443856|2.248641|2.392151|2.875740|3.331466|6.025690|5.066313|7.248655|8.198806|14.253172|36.858105| |2.625904|2.215881|2.090907|2.259402|2.697615|2.991398|5.196481|4.735767|7.453328|7.332579|7.421659|11.033825|388.023441| |3.196169|2.632934|2.503327|2.782063|3.470433|3.857866|7.083871|7.663647|11.970843|13.957020|8.252166|7.789300|78.133992|36.858105| |2.970130|2.519393|2.462914|2.787270|3.434355|3.605575|6.115857|6.550620|12.872582|7.828773|5.219269|4.983414|49.142846|13.636906|53.358707| |2.476193|2.162287|2.131872|2.381925|2.819746|2.899176|4.660416|4.500631|8.820530|5.175864|4.015992|4.121596|42.773793|7.806729|19.493965|36.858105| |2.219371|1.950587|1.907992|2.095680|2.438336|2.535085|4.055425|3.735913|6.921531|4.476062|3.781600|4.151817|46.467785|6.573622|11.436770|15.844451|73.516695| |2.312393|2.070946|2.087779|2.354022|2.724939|2.694291|4.113144|3.818856|7.979353|3.948689|3.147158|3.130627|28.887013|5.061943|10.760893|12.452653|14.399334|36.858105| |1.988088|1.805847|1.813256|2.003716|2.259530|2.249719|3.380664|2.997047|5.969201|3.152702|2.662704|2.728701|25.042309|3.926506|7.155719|7.857011|13.083765|12.840318|53.358707| |1.982879|1.803841|1.800119|1.968895|2.206163|2.217583|3.315666|2.906292|5.734626|3.044573|2.590865|2.651967|24.015799|3.734646|6.597017|6.759246|11.561741|9.200812|25.596176|0.500000| |1.916905|1.733478|1.727639|1.897473|2.144165|2.159466|3.285667|2.903661|5.616130|3.163915|2.728531|2.874174|27.286100|4.030094|7.042950|8.076820|16.519134|9.427227|25.535321|0.329287|0.500000| |1.789781|1.654782|1.682837|1.859560|2.055638|2.008405|2.943890|2.538188|5.067375|2.598130|2.241620|2.277103|19.925837|3.076994|5.290895|5.046396|8.541755|7.523967|17.333384|0.260566|0.252675|36.858105| |1.606119|1.494910|1.510767|1.643422|1.793185|1.769453|2.578433|2.175031|4.235193|2.245187|1.990050|2.045438|17.658078|2.617312|4.273394|3.929336|7.112031|4.993419|10.608648|0.213279|0.193664|12.498348|36.858105| |1.546489|1.434635|1.441982|1.562536|1.709029|1.699253|2.495998|2.101353|4.027688|2.209719|1.985990|2.073401|18.083255|2.595616|4.151989|3.851844|7.355920|4.560369|9.451713|0.183953|0.202283|8.890243|17.544748|0.500000| |1.469706|1.385532|1.411011|1.530242|1.644630|1.606702|2.303065|1.908362|3.713524|1.936985|1.734501|1.766560|14.789742|2.195538|3.501032|3.050412|5.416474|3.773462|6.765673|0.136471|0.125481|7.431579|12.370224|0.242164|36.858105| |1.472103|1.395874|1.421218|1.531157|1.631972|1.595980|2.265491|1.861001|3.625593|1.866147|1.670342|1.686682|13.921601|2.086922|3.307606|2.811744|4.914274|3.437984|5.887954|0.128170|0.106514|5.649858|7.918729|0.163164|12.414355|36.858105| |1.525479|1.435312|1.445400|1.547530|1.660716|1.647828|2.361815|1.947614|3.759789|1.978549|1.774138|1.805931|15.075391|2.236190|3.535915|3.048730|5.434300|3.629158|6.476547|0.153935|0.118633|5.510991|8.185036|0.177098|8.020498|12.519260|36.858105| |1.653986|1.537866|1.543820|1.665990|1.814826|1.808074|2.631400|2.212181|4.291408|2.278417|2.017810|2.068276|17.779984|2.645685|4.298089|3.897077|7.019887|4.796229|9.824000|0.251085|0.174007|8.128761|13.537640|0.259221|8.036045|8.194672|13.376062|73.516695| |2.659442|2.233890|2.040322|2.124535|2.480154|2.859828|4.894321|3.788727|5.600743|5.153159|7.972711|12.683564|45.877421|4.827317|4.877213|3.151937|5.776202|2.528186|3.105759|0.062057|0.066880|1.955597|1.794445|0.050845|1.573068|1.506624|1.609517|3.225323|36.858105| |3.011139|2.496364|2.243972|2.313049|2.704774|3.190841|5.470881|3.930899|5.650669|4.974406|7.964867|8.093137|33.341353|4.190241|4.370165|2.765571|4.885674|2.297804|2.792420|0.055758|0.059031|1.789417|1.635741|0.045884|1.454119|1.401285|1.481632|2.935773|12.286589|36.858105| |3.955273|3.100318|2.729421|2.832332|3.439105|4.301620|8.078220|5.484616|7.251438|6.929165|12.580593|8.121208|34.378926|5.001622|5.070815|3.048725|5.175236|2.532447|2.995781|0.059913|0.062287|1.906659|1.719607|0.047650|1.526273|1.479920|1.562318|3.101993|7.640772|12.276655|36.858105| |4.604607|6.697212|10.060567|6.695089|4.597196|4.088174|4.266963|2.719086|4.903292|2.265408|2.108023|1.838625|12.321410|2.011858|2.726381|1.786420|2.882545|1.778194|2.149027|0.043664|0.041798|1.492166|1.356593|0.035950|1.285837|1.302850|1.315165|2.462093|1.701656|1.851428|2.164093|2539.412838| |17.705129|8.951196|5.670714|4.964446|5.642808|8.902532|9.945366|4.960516|7.432042|4.060571|3.957616|3.142694|19.228946|3.207634|3.948479|2.429568|3.927588|2.230651|2.639516|0.054038|0.052366|1.734224|1.569889|0.042223|1.431160|1.434093|1.498006|2.888376|2.865413|3.295277|4.391994|130.363428|0.500000| |8.922924|17.757472|8.921275|5.648127|4.946927|5.639470|5.717149|3.327184|5.564972|2.775051|2.659614|2.254444|14.497147|2.361821|3.066366|1.963802|3.189071|1.881092|2.265875|0.046420|0.044554|1.531677|1.398068|0.037364|1.301062|1.315470|1.355448|2.565194|2.101953|2.350615|2.852376|219.519661|0.215937|0.500000| |4.968287|5.652308|8.933321|17.754755|8.937501|5.654217|5.652385|3.727654|7.199604|2.898203|2.550345|2.182300|14.921130|2.557995|3.560124|2.276926|3.564023|2.297523|2.673907|0.053365|0.051449|1.851071|1.632722|0.042970|1.534376|1.534588|1.534843|2.923110|1.945825|2.094004|2.502902|219.930201|0.107768|0.124294|0.500000| |5.648866|4.950555|5.660885|8.946897|17.803935|8.908800|9.581205|6.671714|13.891325|4.470475|3.619455|2.953872|20.232749|3.752614|5.207891|3.109611|4.695029|3.038775|3.352829|0.065867|0.064627|2.243241|1.924285|0.050819|1.759283|1.730227|1.748870|3.425341|2.502846|2.681127|3.359947|130.315772|0.124068|0.107536|0.215964|0.500000| |7.460515|4.867129|4.084915|4.315380|5.818745|9.296438|26.120128|9.493812|10.896733|7.592588|7.375561|4.878574|27.651825|4.940144|5.513900|3.166990|5.049163|2.750270|3.148544|0.063307|0.063273|2.015121|1.788578|0.048492|1.598448|1.571261|1.646272|3.251059|4.073145|4.811609|7.911190|99.318184|0.222946|0.114871|0.098860|0.146159|0.500000| |3.281603|2.778010|2.755729|3.198262|4.038946|4.127344|6.887901|7.794917|18.688420|7.518099|4.840515|4.324259|37.460699|9.511342|25.740302|9.324601|10.733997|7.481461|6.572211|0.124710|0.125139|3.762091|3.006470|0.079409|2.520624|2.411974|2.537282|5.382414|3.226653|3.023060|3.609370|75.004588|0.086812|0.067905|0.083324|0.128800|0.120100|0.500000| |2.250059|2.030560|2.073669|2.366970|2.733814|2.642840|3.992262|3.671632|7.749869|3.727790|3.002041|2.965006|26.595355|4.610643|9.183431|8.867820|11.540767|17.605712|12.368806|0.181060|0.209235|7.265643|4.658937|0.119325|3.700091|3.270564|3.289993|7.430860|2.420226|2.229448|2.447671|60.359701|0.059715|0.051063|0.065001|0.086368|0.073812|0.187584|0.500000| |2.468086|2.218690|2.249593|2.548499|2.943891|2.883265|4.316967|3.994677|8.711649|3.903552|3.065683|2.961731|26.054505|4.736063|9.792690|8.687075|10.688103|17.636265|12.317956|0.229941|0.183737|6.453177|4.561399|0.111474|3.614193|3.472596|3.662020|8.282654|2.407614|2.228647|2.500558|64.933889|0.065567|0.055729|0.069115|0.091028|0.078909|0.216650|0.300649|0.500000| |1.742517|1.612385|1.645758|1.826889|2.021382|1.963410|2.882604|2.481370|4.930916|2.552188|2.217350|2.260459|19.732732|3.014598|5.108913|4.796497|8.228620|6.727547|12.344448|0.182114|0.222191|17.622180|8.721589|0.215304|6.426698|4.666487|4.363827|10.256001|1.947960|1.785663|1.890367|49.721642|0.046796|0.041404|0.050744|0.061741|0.054892|0.100623|0.209213|0.152957|0.500000| |1.844555|1.717402|1.762508|1.958269|2.150994|2.073920|2.994788|2.570840|5.236693|2.556601|2.184410|2.177668|18.601483|2.958847|5.113166|4.606074|7.382492|7.112737|12.423866|0.218350|0.179668|17.620065|8.818740|0.173798|6.949524|5.962267|5.431326|12.685865|1.871396|1.736772|1.872007|53.331202|0.049247|0.044034|0.054532|0.065411|0.056400|0.105351|0.195114|0.194732|0.299352|0.500000| |1.368521|1.291939|1.311564|1.414452|1.515681|1.487355|2.134029|1.755183|3.373409|1.795966|1.629792|1.672593|13.937266|2.027869|3.169645|2.738668|4.975138|3.240687|5.671783|0.114456|0.111126|5.628826|8.816895|0.228314|17.597672|8.785047|6.695688|11.348984|1.504927|1.388044|1.443372|40.854964|0.037168|0.033839|0.039353|0.044835|0.041428|0.062865|0.088694|0.085247|0.146337|0.141244|0.500000| |1.473696|1.394132|1.430365|1.561103|1.673978|1.618627|2.308167|1.911463|3.747727|1.922062|1.715027|1.734668|14.414987|2.163713|3.461174|2.976501|5.184446|3.741817|6.342929|0.122000|0.116488|7.245973|8.658970|0.185985|17.576728|8.660869|5.740894|10.522177|1.543223|1.437010|1.512739|44.452840|0.039630|0.036261|0.043784|0.050075|0.044302|0.070077|0.106386|0.099707|0.193070|0.202915|0.303005|0.500000| |1.365720|1.302910|1.327255|1.421662|1.503114|1.469736|2.074240|1.685432|3.257929|1.687837|1.526432|1.541744|12.564927|1.866590|2.906680|2.426779|4.269651|2.877683|4.741988|0.102122|0.088401|4.333117|5.705285|0.131451|8.691114|17.609568|8.725697|10.356294|1.391180|1.299269|1.365905|41.784104|0.037007|0.034267|0.039667|0.044040|0.040133|0.058967|0.076970|0.080732|0.105478|0.125403|0.219844|0.192820|0.500000| |1.545443|1.470630|1.507091|1.631291|1.733457|1.680833|2.367428|1.945687|3.838193|1.921564|1.703398|1.700881|13.943592|2.133251|3.414664|2.862539|4.866510|3.590137|5.886914|0.127496|0.102858|5.632775|6.612000|0.136168|8.762327|17.560533|8.850247|12.310703|1.511722|1.416539|1.509637|47.041173|0.041567|0.038378|0.045620|0.051189|0.045284|0.070396|0.095385|0.104269|0.128252|0.184818|0.174144|0.218244|0.301914|0.500000| |1.427520|1.344043|1.347597|1.433964|1.535348|1.532161|2.200430|1.801608|3.432338|1.848088|1.680450|1.725740|14.355170|2.083152|3.228016|2.766703|5.056145|3.161504|5.548019|0.128835|0.107172|4.555725|6.752864|0.168713|6.796201|8.764770|17.574775|16.488073|1.554341|1.425467|1.488655|41.887766|0.039143|0.035421|0.039430|0.044703|0.042934|0.063712|0.080379|0.086926|0.105956|0.119772|0.184656|0.137281|0.216466|0.173741|0.500000| |1.572390|1.482773|1.490613|1.588672|1.698610|1.689561|2.408183|1.976264|3.818491|1.989987|1.780472|1.798895|14.865625|2.227784|3.509537|2.964391|5.201640|3.488473|5.912485|0.144913|0.107016|4.690710|5.955865|0.135039|5.716884|8.654657|17.648061|16.666782|1.603274|1.482599|1.573150|46.208041|0.042924|0.038970|0.043667|0.049370|0.046580|0.070627|0.086589|0.101383|0.104459|0.134756|0.135996|0.127109|0.193208|0.218240|0.300483|0.500000| |2.351129|2.014118|1.866071|1.950752|2.252115|2.531802|4.214500|3.286754|5.021827|4.308088|5.927599|8.759783|41.750514|4.248997|4.481108|2.989995|5.595684|2.420493|3.013471|0.059724|0.065598|1.915220|1.765208|0.050453|1.551062|1.473499|1.567874|3.140837|17.578757|8.661142|5.655614|53.711812|0.069293|0.052788|0.050214|0.063761|0.094795|0.082040|0.065106|0.063207|0.053504|0.050544|0.041466|0.042327|0.037887|0.040867|0.042267|0.043075|0.500000| |2.536745|2.147285|1.948249|2.003704|2.308445|2.667468|4.465218|3.419488|5.141047|4.476211|6.300866|8.878830|40.535211|4.299613|4.501862|2.973545|5.516985|2.407527|3.009837|0.060994|0.064813|1.894256|1.761151|0.049961|1.544223|1.489447|1.604678|3.200961|17.539096|8.651173|6.200078|55.790327|0.076895|0.056759|0.050979|0.064052|0.102926|0.082851|0.063199|0.064147|0.051943|0.050334|0.041144|0.041805|0.038291|0.041388|0.043250|0.044599|0.302588|0.500000| |2.820049|2.378332|2.172859|2.258079|2.626418|3.019745|5.058685|3.645087|5.356090|4.460905|6.489253|6.571753|30.183843|3.836994|4.111168|2.628001|4.640769|2.210681|2.687336|0.053152|0.056891|1.740955|1.587312|0.044614|1.418633|1.359029|1.425402|2.819871|8.810565|17.587056|8.814180|61.497925|0.083737|0.062051|0.057322|0.073133|0.119855|0.079541|0.060521|0.059182|0.048725|0.046912|0.037699|0.039151|0.035069|0.038154|0.038116|0.039427|0.225390|0.175556|0.500000| |2.872798|2.415872|2.149250|2.173071|2.488096|2.935433|4.834556|3.376599|4.960473|4.039183|5.795207|5.853526|27.373696|3.479209|3.776991|2.436664|4.323747|2.063828|2.543302|0.051194|0.053596|1.644140|1.518921|0.042591|1.359498|1.317885|1.395021|2.740052|8.654501|17.601900|8.657664|61.144919|0.088951|0.064330|0.054652|0.067499|0.118178|0.073293|0.055472|0.056031|0.045409|0.044450|0.036165|0.037244|0.034105|0.036969|0.037427|0.038905|0.189474|0.219672|0.303011|0.500000| |4.353543|3.348459|2.850212|2.876235|3.440198|4.460168|8.103717|5.159640|6.912089|5.986915|8.819931|6.360751|30.042668|4.444035|4.688398|2.851010|4.830548|2.406062|2.872103|0.058197|0.059268|1.832073|1.665812|0.045960|1.483743|1.453083|1.540823|3.038005|6.205126|8.686362|17.497396|76.594605|0.142972|0.086825|0.069725|0.090488|0.233176|0.093934|0.063885|0.067028|0.049987|0.050253|0.038957|0.040704|0.037335|0.041244|0.040800|0.043419|0.130092|0.159908|0.176157|0.221403|0.500000| |4.282621|3.346444|2.957962|3.089155|3.780235|4.726524|8.691677|5.477180|7.301466|6.131220|8.713964|6.005845|29.061485|4.433212|4.720179|2.843451|4.760678|2.422089|2.849286|0.056590|0.058812|1.839061|1.650729|0.045568|1.477901|1.431576|1.496410|2.956424|5.664464|8.700088|17.558187|78.838595|0.128747|0.084486|0.075413|0.102095|0.238113|0.096086|0.066131|0.066735|0.050973|0.050495|0.038794|0.040970|0.036782|0.040729|0.039520|0.041803|0.129953|0.130117|0.227001|0.190445|0.301681|0.500000| 4162.930305 -16216.355992 4991.027919 -277.324048 -7339.721816 3172.550704 -4167.171112 2.001019 40B9800000000012 4471BE0479753A36 43F263841E88024B 425C79C2BF27FFFE B7CA22391F5F0C00 443831CFB829652E